SCHEMBL2904767

SCHEMBL2904767

CC(C)(C)c1cc2cccc(Nc3ccc4c(NS(=O)(=O)c5cc(F)cc(F)c5)cccc4n3)c2o1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
GAA P10253 2/20 0.38
RECQL P46063 1/20 0.37
CLK1 P49759 1/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTGES2 Q9H7Z7 1/20 0.34
SLC40A1 Q9NP59 1/20 0.34
GLO1 Q04760 2/20 0.33
EPHB4 P54760 1/20 0.33
SLC2A1 P11166 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2905387 0.88 RECQL (0.39) MAPTGAARECQLCLK1KMT2A
SCHEMBL2907742 0.82 RECQL (0.53) MAPTGAARECQLCLK1KMT2A
SCHEMBL2906707 0.80 MAPT (0.46) MAPTGAARECQLKMT2AMEN1
SCHEMBL2904980 0.79 EGFR (0.44) MAPTGAACLK1KMT2AMEN1
SCHEMBL2905425 0.76 RECQL (0.34) MAPTGAARECQLCLK1KMT2A
SCHEMBL2906872 0.76 SLC10A2 (0.45) MAPTRECQLKMT2AMEN1ALDH1A1
SCHEMBL2906708 0.76 IDO1 (0.42) MAPTGAARECQLCLK1KMT2A
SCHEMBL2902345 0.75 EPHB4 (0.47) MAPTGAARECQLCLK1KMT2A
SCHEMBL2906857 0.74 ALDH1A1 (0.38) MAPTGAARECQLCLK1KMT2A
SCHEMBL2910554 0.74 CLK1 (0.52) MAPTGAACLK1KMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825253-B2 2-aminoquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2010-11-02 US claimed
EP-2076495-B1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES HOFFMANN LA ROCHE (CH) 2010-08-18 EP claimed
EP-2076495-A1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES F.HOFFMANN-LA ROCHE AG (CH) 2009-07-08 EP claimed
WO-2008037626-A1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-03 WO claimed
US-20080081907-A1 2-AMINOQUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-04-03 US claimed
US-7825253-B2 2-aminoquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2010-11-02 US disclosed
EP-2076495-B1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES HOFFMANN LA ROCHE (CH) 2010-08-18 EP disclosed
EP-2076495-A1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES F.HOFFMANN-LA ROCHE AG (CH) 2009-07-08 EP disclosed
WO-2008037626-A1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-03 WO disclosed
US-20080081907-A1 2-AMINOQUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-04-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080081907-A1 2-AMINOQUINOLINE DERIVATIVES AR, ADRA2C, RCC2 MAPT 1716/4885GAA 3960/4885RECQL 74/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.